Purinergic P2X Receptor Antagonists

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AI-based prediction of new binding site and virtual screening for the discovery of novel P2X3 receptor antagonists.

European journal of medicinal chemistry Jul 1, 2022
Artificial intelligence (AI) has been recognized as a powerful technique that can accelerate drug discovery during the hit compound identification step. However, most simple deep learning models have been used for naive pre-filtering as the predictio...
Artificial Intelligence Molecular Docking Simulation Drug Discovery Protein Binding Molecular Dynamics Simulation Ligands Binding Sites Purinergic P2X Receptor Antagonists
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